N-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

C26H32N4O3 — CID 23849249

IUPACN-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CC(=O)Nc3cc(C(=O)NC4CCCCC4N)ccc32)cc1
InChIInChI=1S/C26H32N4O3/c1-26(2,3)18-11-8-16(9-12-18)25(33)30-15-23(31)28-21-14-17(10-13-22(21)30)24(32)29-20-7-5-4-6-19(20)27/h8-14,19-20H,4-7,15,27H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyPCDBCPPWAYATSW-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.58
Rot. Bonds3

About N-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

N-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 23849249) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID23849249
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CC(=O)Nc3cc(C(=O)NC4CCCCC4N)ccc32)cc1
InChIInChI=1S/C26H32N4O3/c1-26(2,3)18-11-8-16(9-12-18)25(33)30-15-23(31)28-21-14-17(10-13-22(21)30)24(32)29-20-7-5-4-6-19(20)27/h8-14,19-20H,4-7,15,27H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyPCDBCPPWAYATSW-UHFFFAOYSA-N
XLogP3.58
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminocyclohexyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711439
1-acetyl-N-(2-aminocyclohexyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23852140
N-(2-aminocyclohexyl)-1-(4-nitrobenzoyl)-4-oxo-2-phenyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23852395
N-(2-aminocyclohexyl)-1-(cyclopropanecarbonyl)-2-(4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23851572
N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23824577
N-(4-aminocyclohexyl)-1-(cyclohexanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23741539
N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23879925
4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
CID 7311333
N-(2-aminocyclohexyl)-2-(4-methylphenyl)-4-oxo-1-(2-phenylacetyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 23857381
4-[(4-acetylpiperazin-1-yl)methyl]-N-(2-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]benzamide
CID 23798099
7-bromo-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 155950678
N-(2-aminocyclohexyl)-4-oxo-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide
CID 23848197

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide (CID 23849249) is N-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is CC(C)(C)c1ccc(C(=O)N2CC(=O)Nc3cc(C(=O)NC4CCCCC4N)ccc32)cc1.
What is the InChIKey of N-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is PCDBCPPWAYATSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-26(2,3)18-11-8-16(9-12-18)25(33)30-15-23(31)28-21-14-17(10-13-22(21)30)24(32)29-20-7-5-4-6-19(20)27/h8-14,19-20H,4-7,15,27H2,1-3H3,(H,28,31)(H,29,32).
What are the key properties of N-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide?
N-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-1-(4-tert-butylbenzoyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 23849249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).